6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one

C20H24N4O3 — CID 26355505

IUPAC6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one
SMILESCOc1ccc(N2C(=O)CN(C(=O)c3ccnn3C)CC23CCCC3)cc1
InChIInChI=1S/C20H24N4O3/c1-22-17(9-12-21-22)19(26)23-13-18(25)24(20(14-23)10-3-4-11-20)15-5-7-16(27-2)8-6-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3
InChIKeyCFESRNXGEJCWJP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.23
Rot. Bonds3

About 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one

6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one (PubChem CID 26355505) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one
PubChem CID26355505
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one
SMILESCOc1ccc(N2C(=O)CN(C(=O)c3ccnn3C)CC23CCCC3)cc1
InChIInChI=1S/C20H24N4O3/c1-22-17(9-12-21-22)19(26)23-13-18(25)24(20(14-23)10-3-4-11-20)15-5-7-16(27-2)8-6-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3
InChIKeyCFESRNXGEJCWJP-UHFFFAOYSA-N
XLogP2.23
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
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Cfm-1571
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1-Cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
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(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
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CID 1000608
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CID 990460
5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
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1-(4-methoxyphenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
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[1-(Cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one (CID 26355505) is 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one is COc1ccc(N2C(=O)CN(C(=O)c3ccnn3C)CC23CCCC3)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one?
The InChIKey is CFESRNXGEJCWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-22-17(9-12-21-22)19(26)23-13-18(25)24(20(14-23)10-3-4-11-20)15-5-7-16(27-2)8-6-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one?
6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one has a molecular weight of 368.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-9-(2-methylpyrazole-3-carbonyl)-6,9-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 26355505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).